SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3bmw'

List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		7 / 12 HIS A  99
TYR A 101
ASP A 230
GLU A 258
ASP A 329
ASP A 371
ARG A 375
 GLC  A 695 ( 3.7A)
ACI  A 694 ( 4.0A)
ACI  A 694 (-3.2A)
G6D  A 693 ( 2.8A)
ACI  A 694 ( 2.8A)
GLC  A 695 ( 3.0A)
GLC  A 695 ( 2.9A)
 0.94A 1dedA-3bmwA:
61.0		 1dedA-3bmwA:
68.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		10 / 12 HIS A  99
TYR A 101
LEU A 195
LEU A 198
ASP A 230
ALA A 231
HIS A 328
ASP A 329
ASP A 371
ARG A 375
 GLC  A 695 ( 3.7A)
ACI  A 694 ( 4.0A)
None
GLC  A 695 ( 4.9A)
ACI  A 694 (-3.2A)
G6D  A 693 (-3.5A)
ACI  A 694 (-3.9A)
ACI  A 694 ( 2.8A)
GLC  A 695 ( 3.0A)
GLC  A 695 ( 2.9A)
 0.64A 1dedA-3bmwA:
61.0		 1dedA-3bmwA:
68.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		6 / 12 TYR A 101
LEU A 198
ASP A 230
GLU A 258
ASP A 329
ASP A 371
 ACI  A 694 ( 4.0A)
GLC  A 695 ( 4.9A)
ACI  A 694 (-3.2A)
G6D  A 693 ( 2.8A)
ACI  A 694 ( 2.8A)
GLC  A 695 ( 3.0A)
 1.43A 1dedA-3bmwA:
61.0		 1dedA-3bmwA:
68.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		6 / 12 TYR A 101
LEU A 198
ASP A 230
HIS A 328
ASP A 329
ASP A 371
 ACI  A 694 ( 4.0A)
GLC  A 695 ( 4.9A)
ACI  A 694 (-3.2A)
ACI  A 694 (-3.9A)
ACI  A 694 ( 2.8A)
GLC  A 695 ( 3.0A)
 1.43A 1dedA-3bmwA:
61.0		 1dedA-3bmwA:
68.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_A_QPSA1001_2
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		8 / 9 TYR A  98
TRP A 102
HIS A 141
ASP A 197
ARG A 228
LYS A 233
TRP A 259
PHE A 260
 None
GLC  A 695 (-3.9A)
ACI  A 694 (-3.9A)
GOL  A 704 (-3.1A)
ACI  A 694 (-3.4A)
GLC  A 692 ( 2.8A)
None
G6D  A 693 ( 4.3A)
 0.60A 1dedA-3bmwA:
61.0		 1dedA-3bmwA:
68.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_A_QPSA2001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		4 / 6 TRP A 613
LYS A 648
GLY A 662
ASN A 664
 None
 1.06A 1dedA-3bmwA:
61.0		 1dedA-3bmwA:
68.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_A_QPSA2001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		5 / 6 TRP A 613
LYS A 648
TRP A 659
GLY A 661
ASN A 664
 None
 0.46A 1dedA-3bmwA:
61.0		 1dedA-3bmwA:
68.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_B_QPSB1501_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		11 / 12 HIS A  99
TYR A 101
LEU A 198
ARG A 228
ASP A 230
ALA A 231
GLU A 258
PHE A 260
HIS A 328
ASP A 329
ARG A 375
 GLC  A 695 ( 3.7A)
ACI  A 694 ( 4.0A)
GLC  A 695 ( 4.9A)
ACI  A 694 (-3.4A)
ACI  A 694 (-3.2A)
G6D  A 693 (-3.5A)
G6D  A 693 ( 2.8A)
G6D  A 693 ( 4.3A)
ACI  A 694 (-3.9A)
ACI  A 694 ( 2.8A)
GLC  A 695 ( 2.9A)
 0.63A 1dedB-3bmwA:
66.5		 1dedB-3bmwA:
68.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_B_QPSB1501_2
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		7 / 9 TRP A 102
HIS A 141
PHE A 184
LEU A 195
ASP A 197
LYS A 233
ASP A 371
 GLC  A 695 (-3.9A)
ACI  A 694 (-3.9A)
GLC  A 692 (-4.0A)
None
GOL  A 704 (-3.1A)
GLC  A 692 ( 2.8A)
GLC  A 695 ( 3.0A)
 0.45A 1dedB-3bmwA:
66.5		 1dedB-3bmwA:
68.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DY4_A_SNPA437_2
(EXOGLUCANASE 1)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		4 / 5 HIS A 141
TRP A 239
TYR A 211
ALA A 215
 ACI  A 694 (-3.9A)
None
None
None
 1.44A 1dy4A-3bmwA:
undetectable		 1dy4A-3bmwA:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HXW_B_RITB301_1
(HIV-1 PROTEASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		5 / 9 GLY A 502
ASP A   3
GLY A 521
VAL A 529
ILE A 517
 None
 1.12A 1hxwA-3bmwA:
undetectable		 1hxwA-3bmwA:
10.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MXD_A_ACRA735_1
(ALPHA AMYLASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		8 / 12 TYR A 101
HIS A 141
ARG A 228
ASP A 230
LYS A 233
GLU A 258
HIS A 328
ASP A 329
 ACI  A 694 ( 4.0A)
ACI  A 694 (-3.9A)
ACI  A 694 (-3.4A)
ACI  A 694 (-3.2A)
GLC  A 692 ( 2.8A)
G6D  A 693 ( 2.8A)
ACI  A 694 (-3.9A)
ACI  A 694 ( 2.8A)
 0.35A 1mxdA-3bmwA:
30.5		 1mxdA-3bmwA:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q23_B_FUAB703_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		5 / 12 PHE A 294
LEU A 460
VAL A 489
VAL A 390
THR A 386
 None
 1.26A 1q23B-3bmwA:
undetectable		 1q23B-3bmwA:
14.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UDU_B_CIAB2003_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		6 / 12 ALA A 641
GLN A 583
ILE A 584
VAL A 586
PHE A 588
LEU A 603
 None
 1.16A 1uduB-3bmwA:
undetectable		 1uduB-3bmwA:
17.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AVD_A_SAMA501_0
(CATECHOL-O-METHYLTRA
NSFERASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		5 / 12 GLY A 156
TYR A 175
ALA A 153
ASP A 197
TYR A 152
 None
None
None
GOL  A 704 (-3.1A)
None
 1.22A 2avdA-3bmwA:
undetectable		 2avdA-3bmwA:
14.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2G72_A_SAMA2001_1
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		4 / 6 TYR A 359
GLY A 368
TYR A 360
ASN A 369
 None
 1.29A 2g72A-3bmwA:
undetectable		 2g72A-3bmwA:
17.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2LH8_A_VIBA1_1
(MAJOR PRION PROTEIN)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		4 / 6 PRO A 236
HIS A 234
ASP A 183
TYR A 192
 GOL  A 706 (-4.4A)
G6D  A 693 ( 3.8A)
None
None
 1.46A 2lh8A-3bmwA:
undetectable		 2lh8A-3bmwA:
12.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2LH8_A_VIBA1_1
(MAJOR PRION PROTEIN)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		4 / 6 PRO A 236
HIS A 234
ASP A 189
TYR A 192
 GOL  A 706 (-4.4A)
G6D  A 693 ( 3.8A)
None
None
 1.46A 2lh8A-3bmwA:
undetectable		 2lh8A-3bmwA:
12.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNH_B_9CRB501_1
(CYTOCHROME P450 2C8)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		5 / 9 GLY A 505
ILE A 501
THR A 564
VAL A 546
ILE A 538
 None
 1.32A 2nnhB-3bmwA:
undetectable		 2nnhB-3bmwA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		6 / 12 LEU A 195
ARG A 228
ASP A 230
ALA A 231
GLU A 258
ASN A 270
 None
ACI  A 694 (-3.4A)
ACI  A 694 (-3.2A)
G6D  A 693 (-3.5A)
G6D  A 693 ( 2.8A)
None
 1.28A 3aicA-3bmwA:
7.8		 3aicA-3bmwA:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		7 / 12 LEU A 195
ARG A 228
ASP A 230
ALA A 231
GLU A 258
HIS A 328
ASP A 329
 None
ACI  A 694 (-3.4A)
ACI  A 694 (-3.2A)
G6D  A 693 (-3.5A)
G6D  A 693 ( 2.8A)
ACI  A 694 (-3.9A)
ACI  A 694 ( 2.8A)
 0.64A 3aicA-3bmwA:
7.8		 3aicA-3bmwA:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		6 / 12 LEU A 195
ARG A 228
ASP A 230
ALA A 231
GLU A 258
ASN A 270
 None
ACI  A 694 (-3.4A)
ACI  A 694 (-3.2A)
G6D  A 693 (-3.5A)
G6D  A 693 ( 2.8A)
None
 1.24A 3aicB-3bmwA:
4.6		 3aicB-3bmwA:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		7 / 12 LEU A 195
ARG A 228
ASP A 230
ALA A 231
GLU A 258
HIS A 328
ASP A 329
 None
ACI  A 694 (-3.4A)
ACI  A 694 (-3.2A)
G6D  A 693 (-3.5A)
G6D  A 693 ( 2.8A)
ACI  A 694 (-3.9A)
ACI  A 694 ( 2.8A)
 0.62A 3aicB-3bmwA:
4.6		 3aicB-3bmwA:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		7 / 12 ARG A 228
ASP A 230
ALA A 231
GLU A 258
HIS A 328
ASP A 329
TYR A 101
 ACI  A 694 (-3.4A)
ACI  A 694 (-3.2A)
G6D  A 693 (-3.5A)
G6D  A 693 ( 2.8A)
ACI  A 694 (-3.9A)
ACI  A 694 ( 2.8A)
ACI  A 694 ( 4.0A)
 0.65A 3aicC-3bmwA:
9.7		 3aicC-3bmwA:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		6 / 12 LEU A 195
ARG A 228
ASP A 230
ALA A 231
GLU A 258
ASN A 270
 None
ACI  A 694 (-3.4A)
ACI  A 694 (-3.2A)
G6D  A 693 (-3.5A)
G6D  A 693 ( 2.8A)
None
 1.27A 3aicD-3bmwA:
9.7		 3aicD-3bmwA:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		7 / 12 LEU A 195
ARG A 228
ASP A 230
ALA A 231
GLU A 258
HIS A 328
ASP A 329
 None
ACI  A 694 (-3.4A)
ACI  A 694 (-3.2A)
G6D  A 693 (-3.5A)
G6D  A 693 ( 2.8A)
ACI  A 694 (-3.9A)
ACI  A 694 ( 2.8A)
 0.68A 3aicD-3bmwA:
9.7		 3aicD-3bmwA:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		6 / 12 LEU A 195
ARG A 228
ASP A 230
ALA A 231
GLU A 258
ASN A 270
 None
ACI  A 694 (-3.4A)
ACI  A 694 (-3.2A)
G6D  A 693 (-3.5A)
G6D  A 693 ( 2.8A)
None
 1.31A 3aicE-3bmwA:
5.3		 3aicE-3bmwA:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		7 / 12 LEU A 195
ARG A 228
ASP A 230
ALA A 231
GLU A 258
HIS A 328
ASP A 329
 None
ACI  A 694 (-3.4A)
ACI  A 694 (-3.2A)
G6D  A 693 (-3.5A)
G6D  A 693 ( 2.8A)
ACI  A 694 (-3.9A)
ACI  A 694 ( 2.8A)
 0.67A 3aicE-3bmwA:
5.3		 3aicE-3bmwA:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		6 / 12 LEU A 195
ARG A 228
ASP A 230
ALA A 231
GLU A 258
ASN A 270
 None
ACI  A 694 (-3.4A)
ACI  A 694 (-3.2A)
G6D  A 693 (-3.5A)
G6D  A 693 ( 2.8A)
None
 1.25A 3aicF-3bmwA:
7.6		 3aicF-3bmwA:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		7 / 12 LEU A 195
ARG A 228
ASP A 230
ALA A 231
GLU A 258
HIS A 328
ASP A 329
 None
ACI  A 694 (-3.4A)
ACI  A 694 (-3.2A)
G6D  A 693 (-3.5A)
G6D  A 693 ( 2.8A)
ACI  A 694 (-3.9A)
ACI  A 694 ( 2.8A)
 0.63A 3aicF-3bmwA:
7.6		 3aicF-3bmwA:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_G_ACRG5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		6 / 12 LEU A 195
ARG A 228
ASP A 230
ALA A 231
GLU A 258
ASN A 270
 None
ACI  A 694 (-3.4A)
ACI  A 694 (-3.2A)
G6D  A 693 (-3.5A)
G6D  A 693 ( 2.8A)
None
 1.27A 3aicG-3bmwA:
5.7		 3aicG-3bmwA:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_G_ACRG5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		7 / 12 LEU A 195
ARG A 228
ASP A 230
ALA A 231
GLU A 258
HIS A 328
ASP A 329
 None
ACI  A 694 (-3.4A)
ACI  A 694 (-3.2A)
G6D  A 693 (-3.5A)
G6D  A 693 ( 2.8A)
ACI  A 694 (-3.9A)
ACI  A 694 ( 2.8A)
 0.62A 3aicG-3bmwA:
5.7		 3aicG-3bmwA:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		6 / 12 LEU A 195
ARG A 228
ASP A 230
ALA A 231
GLU A 258
ASN A 270
 None
ACI  A 694 (-3.4A)
ACI  A 694 (-3.2A)
G6D  A 693 (-3.5A)
G6D  A 693 ( 2.8A)
None
 1.32A 3aicH-3bmwA:
5.3		 3aicH-3bmwA:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		7 / 12 LEU A 195
ARG A 228
ASP A 230
ALA A 231
GLU A 258
HIS A 328
ASP A 329
 None
ACI  A 694 (-3.4A)
ACI  A 694 (-3.2A)
G6D  A 693 (-3.5A)
G6D  A 693 ( 2.8A)
ACI  A 694 (-3.9A)
ACI  A 694 ( 2.8A)
 0.71A 3aicH-3bmwA:
5.3		 3aicH-3bmwA:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AOC_C_ERYC3402_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		3 / 3 THR A 516
SER A   7
LYS A 132
 None
 1.03A 3aocC-3bmwA:
undetectable		 3aocC-3bmwA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B9L_A_AZZA1009_1
(SERUM ALBUMIN)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		4 / 8 TYR A 388
SER A 380
GLN A 364
VAL A  71
 None
 1.21A 3b9lA-3bmwA:
undetectable		 3b9lA-3bmwA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ELZ_A_CHDA200_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		4 / 5 PRO A 555
THR A 668
VAL A 669
GLY A 642
 None
 0.97A 3elzA-3bmwA:
2.9		 3elzA-3bmwA:
11.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H0A_A_9RAA500_2
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		3 / 3 ILE A  76
PHE A 113
HIS A 328
 None
None
ACI  A 694 (-3.9A)
 0.75A 3h0aA-3bmwA:
undetectable		 3h0aA-3bmwA:
15.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ID5_B_SAMB301_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		5 / 11 TYR A 406
GLY A 519
THR A  14
ASP A 518
ILE A 517
 None
 1.28A 3id5B-3bmwA:
undetectable		 3id5B-3bmwA:
16.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ID5_F_SAMF301_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		5 / 11 TYR A 406
GLY A 519
THR A  14
ASP A 518
ILE A 517
 None
 1.28A 3id5F-3bmwA:
undetectable		 3id5F-3bmwA:
16.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KMO_A_EAAA214_1
(GLUTATHIONE
S-TRANSFERASE P)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		5 / 9 TYR A 456
VAL A 471
GLY A 454
GLN A 410
GLY A 475
 None
 1.08A 3kmoA-3bmwA:
undetectable		 3kmoA-3bmwA:
15.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OU6_C_SAMC300_1
(SAM-DEPENDENT
METHYLTRANSFERASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		3 / 3 TYR A  39
GLY A  51
ASP A  23
 None
CA  A 699 (-3.9A)
None
 0.71A 3ou6C-3bmwA:
undetectable		 3ou6C-3bmwA:
16.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OXX_A_DR7A100_1
(HIV-1 PROTEASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		5 / 12 GLY A 502
ASP A   3
VAL A 546
GLY A 521
ILE A 517
 None
 1.02A 3oxxA-3bmwA:
undetectable		 3oxxA-3bmwA:
9.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PGY_B_GLYB509_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		4 / 4 PHE A 106
THR A 142
LEU A 212
TYR A 211
 None
 1.45A 3pgyB-3bmwA:
undetectable		 3pgyB-3bmwA:
20.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SP9_B_IL2B901_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		5 / 12 LEU A 220
VAL A 253
PHE A 254
THR A 507
ILE A 576
 None
 1.26A 3sp9B-3bmwA:
undetectable		 3sp9B-3bmwA:
16.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUG_A_SUEA1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		5 / 12 GLY A 354
ARG A 285
THR A 311
ALA A 312
ASP A 314
 None
CL  A 700 ( 4.1A)
CL  A 700 ( 4.9A)
None
None
 1.07A 3sugA-3bmwA:
undetectable		 3sugA-3bmwA:
15.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T7S_C_SAMC300_0
(PUTATIVE
METHYLTRANSFERASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		5 / 12 ARG A 587
GLY A 238
GLN A 204
SER A 277
TYR A 187
 None
GOL  A 706 (-3.8A)
None
None
GOL  A 706 (-4.1A)
 1.38A 3t7sC-3bmwA:
undetectable		 3t7sC-3bmwA:
18.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V3O_B_T1CB405_1
(TETX2 PROTEIN)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		5 / 12 GLY A 100
PRO A 144
ALA A 199
GLY A 156
ASN A 194
 None
GOL  A 704 (-4.3A)
None
None
None
 1.31A 3v3oB-3bmwA:
undetectable		 3v3oB-3bmwA:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		4 / 8 TYR A  65
TYR A  18
VAL A 342
ILE A 391
 None
 1.17A 4aftD-3bmwA:
undetectable
4aftE-3bmwA:
undetectable		 4aftD-3bmwA:
15.20
4aftE-3bmwA:
15.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E7G_A_ACTA514_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		4 / 4 ALA A 488
VAL A 489
ASP A 458
LEU A 394
 None
 1.27A 4e7gA-3bmwA:
undetectable		 4e7gA-3bmwA:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LMN_A_EUIA503_2
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		3 / 3 ASP A  27
VAL A  21
ASN A  32
 CA  A 699 (-3.1A)
None
CA  A 699 (-3.0A)
 0.73A 4lmnA-3bmwA:
undetectable		 4lmnA-3bmwA:
18.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N48_B_SAMB601_1
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		4 / 5 PRO A 356
GLY A 354
ASP A 136
ASP A 283
 None
 1.09A 4n48B-3bmwA:
undetectable		 4n48B-3bmwA:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NJV_A_RITA500_1
(PROTEASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		5 / 12 GLY A 502
ASP A   3
VAL A 546
GLY A 521
ILE A 517
 None
 1.03A 4njvA-3bmwA:
undetectable		 4njvA-3bmwA:
11.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NJV_A_RITA500_2
(PROTEASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		5 / 11 GLY A 502
ASP A   3
VAL A 546
GLY A 521
ILE A 517
 None
 1.02A 4njvB-3bmwA:
undetectable		 4njvB-3bmwA:
11.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O1E_A_C2FA3000_1
(DIHYDROPTEROATE
SYNTHASE DHPS)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		3 / 3 LYS A 107
ASN A  82
ASP A 160
 None
 0.89A 4o1eA-3bmwA:
9.7		 4o1eA-3bmwA:
17.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OBW_C_SAMC601_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		5 / 12 GLY A 521
GLY A 502
SER A 498
ASN A 428
PHE A 425
 None
 1.11A 4obwC-3bmwA:
undetectable		 4obwC-3bmwA:
17.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ODO_B_FK5B203_2
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		3 / 3 ALA A 357
GLN A 288
GLY A 262
 None
None
GLC  A 691 (-3.6A)
 0.41A 4odoC-3bmwA:
1.6		 4odoC-3bmwA:
12.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PST_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		3 / 3 ILE A 308
ASP A 283
ARG A 423
 None
 0.63A 4pstA-3bmwA:
undetectable		 4pstA-3bmwA:
12.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UCI_A_SAMA2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		5 / 12 GLY A 485
GLU A 486
GLY A 466
ASN A 467
ALA A 484
 None
 0.92A 4uciA-3bmwA:
undetectable		 4uciA-3bmwA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UCI_B_SAMB2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		5 / 12 GLY A 485
GLU A 486
GLY A 466
ASN A 467
ALA A 484
 None
 0.91A 4uciB-3bmwA:
undetectable		 4uciB-3bmwA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UCK_A_SAMA2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		5 / 12 GLY A 485
GLU A 486
GLY A 466
ASN A 467
ALA A 484
 None
 0.97A 4uckA-3bmwA:
undetectable		 4uckA-3bmwA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XT7_A_TOPA302_1
(RV2671)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		5 / 11 ILE A  83
THR A 142
SER A 143
GLY A 156
GLU A  81
 None
 1.49A 4xt7A-3bmwA:
undetectable		 4xt7A-3bmwA:
17.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Y0Q_A_PX9A201_1
(BETA-LACTOGLOBULIN)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		3 / 3 LYS A 648
ILE A 650
ILE A 657
 None
 0.67A 4y0qA-3bmwA:
undetectable		 4y0qA-3bmwA:
11.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YB6_A_HISA302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		5 / 10 GLY A 354
VAL A 355
THR A 349
VAL A 322
LEU A 350
 None
 1.08A 4yb6A-3bmwA:
undetectable
4yb6E-3bmwA:
undetectable		 4yb6A-3bmwA:
15.53
4yb6E-3bmwA:
15.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YB6_B_HISB302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		5 / 10 GLY A 354
VAL A 355
THR A 349
VAL A 322
LEU A 350
 None
 1.08A 4yb6B-3bmwA:
undetectable
4yb6C-3bmwA:
undetectable		 4yb6B-3bmwA:
15.53
4yb6C-3bmwA:
15.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YB6_C_HISC302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		5 / 10 GLY A 354
VAL A 355
THR A 349
VAL A 322
LEU A 350
 None
 1.04A 4yb6C-3bmwA:
undetectable
4yb6F-3bmwA:
undetectable		 4yb6C-3bmwA:
15.53
4yb6F-3bmwA:
15.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YB6_D_HISD302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		5 / 10 LEU A 350
GLY A 354
VAL A 355
THR A 349
VAL A 322
 None
 1.04A 4yb6A-3bmwA:
undetectable
4yb6D-3bmwA:
undetectable		 4yb6A-3bmwA:
15.53
4yb6D-3bmwA:
15.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YB6_E_HISE302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		5 / 10 LEU A 350
GLY A 354
VAL A 355
THR A 349
VAL A 322
 None
 1.04A 4yb6D-3bmwA:
undetectable
4yb6E-3bmwA:
undetectable		 4yb6D-3bmwA:
15.53
4yb6E-3bmwA:
15.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YB6_F_HISF302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		5 / 10 LEU A 350
GLY A 354
VAL A 355
THR A 349
VAL A 322
 None
 1.08A 4yb6B-3bmwA:
undetectable
4yb6F-3bmwA:
undetectable		 4yb6B-3bmwA:
15.53
4yb6F-3bmwA:
15.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CSY_B_ACRB601_1
(4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		5 / 12 ARG A 228
ASP A 230
GLU A 258
HIS A 328
ASP A 329
 ACI  A 694 (-3.4A)
ACI  A 694 (-3.2A)
G6D  A 693 ( 2.8A)
ACI  A 694 (-3.9A)
ACI  A 694 ( 2.8A)
 0.47A 5csyB-3bmwA:
20.0		 5csyB-3bmwA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5H3A_A_D16A401_1
(ORF70)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		4 / 7 PHE A 137
ILE A 216
ASP A 225
GLY A 226
 None
 0.86A 5h3aA-3bmwA:
undetectable		 5h3aA-3bmwA:
17.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HBS_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 1)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		4 / 8 LEU A 397
LEU A 460
THR A 457
TYR A 456
 None
 1.12A 5hbsA-3bmwA:
undetectable		 5hbsA-3bmwA:
11.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGY_A_ERYA403_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		4 / 6 ASP A  63
ILE A  57
TYR A  18
TYR A 388
 None
 1.04A 5igyA-3bmwA:
2.3		 5igyA-3bmwA:
16.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IH0_A_ERYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		4 / 6 ASP A  63
ILE A  57
TYR A  18
TYR A 388
 None
 1.13A 5ih0A-3bmwA:
undetectable		 5ih0A-3bmwA:
16.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JMN_A_FUAA1101_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		4 / 5 ILE A  57
ILE A 131
HIS A 127
VAL A 133
 None
 0.88A 5jmnA-3bmwA:
0.9		 5jmnA-3bmwA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L2T_A_6ZZA900_2
(CYCLIN-DEPENDENT
KINASE 6)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		3 / 3 LYS A 217
GLN A 583
ASN A 242
 None
 1.00A 5l2tA-3bmwA:
undetectable		 5l2tA-3bmwA:
17.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LG3_B_Z80B401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		5 / 9 ILE A 216
PHE A 137
VAL A 253
ASP A 221
ILE A 224
 None
 1.17A 5lg3B-3bmwA:
0.8		 5lg3B-3bmwA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LG3_C_Z80C401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		5 / 9 ILE A 216
PHE A 137
VAL A 253
ASP A 221
ILE A 224
 None
 1.12A 5lg3C-3bmwA:
0.5		 5lg3C-3bmwA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LG3_D_Z80D401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		5 / 9 ILE A 216
PHE A 137
VAL A 253
ASP A 221
ILE A 224
 None
 1.15A 5lg3D-3bmwA:
0.7		 5lg3D-3bmwA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LG3_E_Z80E401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		6 / 12 ILE A 247
ILE A 216
PHE A 137
VAL A 253
ASP A 221
ILE A 224
 None
 1.31A 5lg3E-3bmwA:
undetectable		 5lg3E-3bmwA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LG3_F_Z80F401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		5 / 10 ILE A 216
PHE A 137
VAL A 253
ASP A 221
ILE A 224
 None
 1.16A 5lg3F-3bmwA:
1.4		 5lg3F-3bmwA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LG3_G_Z80G401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		5 / 10 ILE A 216
PHE A 137
VAL A 253
ASP A 221
ILE A 224
 None
 1.14A 5lg3G-3bmwA:
undetectable		 5lg3G-3bmwA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LG3_G_Z80G401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		5 / 10 ILE A 247
ILE A 216
PHE A 137
VAL A 253
ILE A 224
 None
 1.18A 5lg3G-3bmwA:
undetectable		 5lg3G-3bmwA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LG3_H_Z80H401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		5 / 10 ILE A 216
PHE A 137
VAL A 253
ASP A 221
ILE A 224
 None
 1.15A 5lg3H-3bmwA:
0.4		 5lg3H-3bmwA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LG3_H_Z80H401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		5 / 10 ILE A 247
ILE A 216
PHE A 137
VAL A 253
ILE A 224
 None
 1.18A 5lg3H-3bmwA:
0.4		 5lg3H-3bmwA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LG3_I_Z80I401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		4 / 9 ILE A 216
VAL A 253
ASP A 221
ILE A 224
 None
 1.03A 5lg3I-3bmwA:
undetectable		 5lg3I-3bmwA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LG3_J_Z80J401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		6 / 12 ILE A 247
ILE A 216
PHE A 137
VAL A 253
ASP A 221
ILE A 224
 None
 1.35A 5lg3J-3bmwA:
undetectable		 5lg3J-3bmwA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MUR_E_PFLE406_1
(PROTON-GATED ION
CHANNEL)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		5 / 10 ILE A  58
ILE A  61
ILE A  74
ILE A  76
ILE A  20
 None
 1.05A 5murE-3bmwA:
undetectable		 5murE-3bmwA:
8.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YNI_A_SAMA401_0
(NSP16 PROTEIN)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		5 / 12 GLY A  52
PRO A 111
GLY A 114
ASP A  23
ASP A  53
 None
None
None
None
CA  A 699 (-3.3A)
 1.35A 5yniA-3bmwA:
undetectable		 5yniA-3bmwA:
18.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YNM_A_SAMA401_0
(NSP16 PROTEIN)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		5 / 12 GLY A  52
PRO A 111
GLY A 114
ASP A  23
ASP A  53
 None
None
None
None
CA  A 699 (-3.3A)
 1.32A 5ynmA-3bmwA:
undetectable		 5ynmA-3bmwA:
18.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		8 / 12 TYR A 101
HIS A 141
LEU A 195
ASP A 230
LYS A 233
HIS A 234
HIS A 328
ASP A 329
 ACI  A 694 ( 4.0A)
ACI  A 694 (-3.9A)
None
ACI  A 694 (-3.2A)
GLC  A 692 ( 2.8A)
G6D  A 693 ( 3.8A)
ACI  A 694 (-3.9A)
ACI  A 694 ( 2.8A)
 0.52A 6ag0A-3bmwA:
28.1		 6ag0A-3bmwA:
7.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AG0_C_ACRC608_0
(ALPHA-AMYLASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		6 / 12 LEU A 195
ASP A 230
LYS A 233
HIS A 234
HIS A 328
ASP A 329
 None
ACI  A 694 (-3.2A)
GLC  A 692 ( 2.8A)
G6D  A 693 ( 3.8A)
ACI  A 694 (-3.9A)
ACI  A 694 ( 2.8A)
 0.47A 6ag0C-3bmwA:
28.3		 6ag0C-3bmwA:
7.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CDU_B_EY4B500_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		4 / 6 VAL A 133
PRO A  79
ALA A 126
THR A 125
 None
 1.01A 6cduB-3bmwA:
undetectable
6cduC-3bmwA:
undetectable		 6cduB-3bmwA:
19.68
6cduC-3bmwA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NJ9_K_SAMK500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		3 / 3 THR A 445
GLU A 486
ASN A 443
 None
 0.79A 6nj9K-3bmwA:
undetectable		 6nj9K-3bmwA:
20.75